9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile

C22H24N6O — CID 42650093

IUPAC9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
SMILESN#Cc1c2c(c3nncn3c1NCC1CCCO1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C22H24N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-3,5-6,15,17,24H,4,7-10,12-14H2
InChIKeyWRJGEWGVOIGVNY-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.75
Rot. Bonds5

About 9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile

9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile (PubChem CID 42650093) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile.

Molecular Properties

Compound Name9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
PubChem CID42650093
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
SMILESN#Cc1c2c(c3nncn3c1NCC1CCCO1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C22H24N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-3,5-6,15,17,24H,4,7-10,12-14H2
InChIKeyWRJGEWGVOIGVNY-UHFFFAOYSA-N
XLogP2.75
TPSA78.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
CID 29126563
3-[[(2R)-oxolan-2-yl]methylamino]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 29072194
9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride
CID 45371073
7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4892295
1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carbonitrile
CID 61005933
9-methyl-5-[(4-propan-2-yloxyphenyl)methylamino]-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;hydrochloride
CID 45371120
7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4860273
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile
CID 114994373
3-methyl-1-[[(2S)-oxolan-2-yl]methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 706064
1-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 131682668
3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510609

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
The IUPAC name of 9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile (CID 42650093) is 9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile.
What is the SMILES notation for 9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
The canonical SMILES for 9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile is N#Cc1c2c(c3nncn3c1NCC1CCCO1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
The InChIKey is WRJGEWGVOIGVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-3,5-6,15,17,24H,4,7-10,12-14H2.
What are the key properties of 9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile has a molecular weight of 388.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile is sourced from PubChem (CID 42650093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).